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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50197077'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Estrogen receptor


(Homo sapiens (Human))
BDBM50197077
PNG
(CHEMBL3961452)
Show SMILES CCC(=C(c1ccc(N)cc1)c1ccc(NCC(N)=O)cc1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C24H24N4O3/c1-2-22(16-7-13-21(14-8-16)28(30)31)24(17-3-9-19(25)10-4-17)18-5-11-20(12-6-18)27-15-23(26)29/h3-14,27H,2,15,25H2,1H3,(H2,26,29)/b24-22+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 451n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of fluorescent ES2 from recombinant human ERalpha after 2 hrs in absence of light by fluorometric analysis


Bioorg Med Chem 24: 5400-5409 (2016)


Article DOI: 10.1016/j.bmc.2016.08.064
BindingDB Entry DOI: 10.7270/Q2JQ12ZK
More data for this
Ligand-Target Pair